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wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

Brethomé, Alexandre; Fletcher, Stephen P.; Paton, Robert S.


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  <dc:creator>Brethomé, Alexandre</dc:creator>
  <dc:creator>Fletcher, Stephen P.</dc:creator>
  <dc:creator>Paton, Robert S.</dc:creator>
  <dc:date>2018-09-24</dc:date>
  <dc:description>First public release of wSterimol - a series of plugins to automate the calculation of Boltzmann-weighted multidimensional Sterimol parameters for conformationally-flexible substituents</dc:description>
  <dc:identifier>https://zenodo.org/record/1434440</dc:identifier>
  <dc:identifier>10.5281/zenodo.1434440</dc:identifier>
  <dc:identifier>oai:zenodo.org:1434440</dc:identifier>
  <dc:relation>url:https://github.com/bobbypaton/wSterimol/tree/v.1.0.3</dc:relation>
  <dc:relation>doi:10.5281/zenodo.1434439</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://opensource.org/licenses/MIT</dc:rights>
  <dc:subject>sterimol</dc:subject>
  <dc:subject>steric parameters</dc:subject>
  <dc:subject>cheminformatics</dc:subject>
  <dc:subject>pymol plugin</dc:subject>
  <dc:subject>physical organic chemistry</dc:subject>
  <dc:title>wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
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